CID 174135085

C8H12BN3O2 — CID 174135085

IUPAC—
SMILES[B]N(C)c1nc(OC)c(C)c(OC)n1
InChIInChI=1S/C8H12BN3O2/c1-5-6(13-3)10-8(12(2)9)11-7(5)14-4/h1-4H3
InChIKeyMUSRTSXZFOGRRG-UHFFFAOYSA-N
MW193.01 g/mol
LogP0.32
Rot. Bonds3

About CID 174135085

CID 174135085 (PubChem CID 174135085) has the molecular formula C8H12BN3O2 and a molecular weight of 193.01 g/mol.

Molecular Properties

Compound NameCID 174135085
PubChem CID174135085
Molecular FormulaC8H12BN3O2
Molecular Weight193.01 g/mol
Exact Mass193.10
IUPAC Name—
SMILES[B]N(C)c1nc(OC)c(C)c(OC)n1
InChIInChI=1S/C8H12BN3O2/c1-5-6(13-3)10-8(12(2)9)11-7(5)14-4/h1-4H3
InChIKeyMUSRTSXZFOGRRG-UHFFFAOYSA-N
XLogP0.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.01
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone
CID 105449694
2,4-dimethoxy-5,6-dimethylpyrimidine
CID 11378723
2,4-dichloro-6-methoxy-5-methylpyrimidine
CID 118141128
1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)propan-2-amine
CID 105465048
5-fluoro-4,6-dimethoxy-N,N-dimethylpyrimidin-2-amine;fluoroethene
CID 143883755
ethane;5-fluoro-4-methoxy-N,N-dimethyl-6-propylpyrimidin-2-amine
CID 143883690
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106998870
ethyl 2-(2,6-dimethoxy-3,5-dimethyl-4-pyridinyl)-2-oxoacetate
CID 142050209
(6-methoxy-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 55280081
2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine
CID 13470317
6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
CID 172832533
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448

Frequently Asked Questions

What is the IUPAC name of CID 174135085?
The IUPAC name of CID 174135085 (CID 174135085) is not available.
What is the SMILES notation for CID 174135085?
The canonical SMILES for CID 174135085 is [B]N(C)c1nc(OC)c(C)c(OC)n1.
What is the InChIKey of CID 174135085?
The InChIKey is MUSRTSXZFOGRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BN3O2/c1-5-6(13-3)10-8(12(2)9)11-7(5)14-4/h1-4H3.
What are the key properties of CID 174135085?
CID 174135085 has a molecular weight of 193.01 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174135085 is sourced from PubChem (CID 174135085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).